3-(1-methoxy-3-methylbutan-2-yl)oxy-2-methylpropane-1-sulfonyl chloride

Name: 3-(1-methoxy-3-methylbutan-2-yl)oxy-2-methylpropane-1-sulfonyl chloride — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₀H₂₁ClO₄S — CID 165499020

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-(1-methoxy-3-methylbutan-2-yl)oxy-2-methylpropane-1-sulfonyl chloride

SMILESCOCC(OCC(C)CS(=O)(=O)Cl)C(C)C

InChIInChI=1S/C10H21ClO4S/c1-8(2)10(6-14-4)15-5-9(3)7-16(11,12)13/h8-10H,5-7H2,1-4H3

InChIKeyISBIMARRCUILJU-UHFFFAOYSA-N

MW272.79 g/mol

LogP1.88

Rot. Bonds8

About 3-(1-methoxy-3-methylbutan-2-yl)oxy-2-methylpropane-1-sulfonyl chloride

3-(1-methoxy-3-methylbutan-2-yl)oxy-2-methylpropane-1-sulfonyl chloride (PubChem CID 165499020) has the molecular formula C₁₀H₂₁ClO₄S and a molecular weight of 272.79 g/mol. Its IUPAC name is 3-(1-methoxy-3-methylbutan-2-yl)oxy-2-methylpropane-1-sulfonyl chloride.

Molecular Properties

Compound Name	3-(1-methoxy-3-methylbutan-2-yl)oxy-2-methylpropane-1-sulfonyl chloride
PubChem CID	165499020
Molecular Formula	C₁₀H₂₁ClO₄S
Molecular Weight	272.79 g/mol
Exact Mass	272.08
IUPAC Name	3-(1-methoxy-3-methylbutan-2-yl)oxy-2-methylpropane-1-sulfonyl chloride
SMILES	COCC(OCC(C)CS(=O)(=O)Cl)C(C)C
InChI	InChI=1S/C10H21ClO4S/c1-8(2)10(6-14-4)15-5-9(3)7-16(11,12)13/h8-10H,5-7H2,1-4H3
InChIKey	ISBIMARRCUILJU-UHFFFAOYSA-N
XLogP	1.88
TPSA	52.60 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	8
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	272.79
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxy-3-methylbutan-2-yl)oxy-2-methylpropane-1-sulfonyl chloride?

The IUPAC name of 3-(1-methoxy-3-methylbutan-2-yl)oxy-2-methylpropane-1-sulfonyl chloride (CID 165499020) is 3-(1-methoxy-3-methylbutan-2-yl)oxy-2-methylpropane-1-sulfonyl chloride.

What is the SMILES notation for 3-(1-methoxy-3-methylbutan-2-yl)oxy-2-methylpropane-1-sulfonyl chloride?

The canonical SMILES for 3-(1-methoxy-3-methylbutan-2-yl)oxy-2-methylpropane-1-sulfonyl chloride is COCC(OCC(C)CS(=O)(=O)Cl)C(C)C.

What is the InChIKey of 3-(1-methoxy-3-methylbutan-2-yl)oxy-2-methylpropane-1-sulfonyl chloride?

The InChIKey is ISBIMARRCUILJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClO4S/c1-8(2)10(6-14-4)15-5-9(3)7-16(11,12)13/h8-10H,5-7H2,1-4H3.

What are the key properties of 3-(1-methoxy-3-methylbutan-2-yl)oxy-2-methylpropane-1-sulfonyl chloride?

3-(1-methoxy-3-methylbutan-2-yl)oxy-2-methylpropane-1-sulfonyl chloride has a molecular weight of 272.79 g/mol, XLogP of 1.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-methoxy-3-methylbutan-2-yl)oxy-2-methylpropane-1-sulfonyl chloride is sourced from PubChem (CID 165499020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 165499020 — identifiers, structure, computed properties (public domain)

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